| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:04:56 UTC |
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| Update Date | 2020-05-11 20:25:21 UTC |
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| BMDB ID | BMDB0010353 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 15-hydroxynorandrostene-3,17-dione glucuronide |
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| Description | 15-Hydroxynorandrostene-3,17-dione glucuronide, also known as 15-hnadg, belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Thus, 15-hydroxynorandrostene-3,17-dione glucuronide is considered to be a steroid conjugate. Based on a literature review a significant number of articles have been published on 15-Hydroxynorandrostene-3,17-dione glucuronide. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 15 alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronide | MeSH | | 15-HNADG | MeSH | | 15-Hydroxynorandrostene-3,17-dione glucuronoside | HMDB | | 15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronide | HMDB | | 15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronoside | HMDB | | Androst-4-ene-3,17-dione, 15-hydroxy glucuronide | HMDB |
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| Chemical Formula | C24H32O9 |
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| Average Molecular Weight | 464.5055 |
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| Monoisotopic Molecular Weight | 464.204632622 |
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| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid |
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| Traditional Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid |
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| CAS Registry Number | 131749-23-0 |
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| SMILES | [H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
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| InChI Identifier | InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1 |
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| InChI Key | ADQUXZRKOKKULD-CZOXBATISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroidal glycosides |
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| Direct Parent | Steroidal glycosides |
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| Alternative Parents | |
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| Substituents | - Steroidal glycoside
- Estrogen-skeleton
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- Estrane-skeleton
- 17-oxosteroid
- Oxosteroid
- Delta-4-steroid
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- O-glycosyl compound
- Glycosyl compound
- Cyclohexenone
- Beta-hydroxy acid
- Oxane
- Pyran
- Monosaccharide
- Hydroxy acid
- Cyclic ketone
- Secondary alcohol
- Ketone
- Monocarboxylic acid or derivatives
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Organic oxide
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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